KZ2
Summary
| Name: | 1-benzothiophene-7-carboxylic acid |
| Formula: | C9 H6 O2 S |
| Formal charge: | 0 |
| Formula weight: | 178.208 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-benzothiophene-7-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H6O2S/c10-9(11)7-3-1-2-6-4-5-12-8(6)7/h1-5H,(H,10,11) |
| InChIKey | InChI | 1.03 | LJPSRTWIAXVPIS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cccc2ccsc12 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cccc2ccsc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2ccsc2c(c1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2ccsc2c(c1)C(=O)O |
